2-anilino-2-oxo-N-phenylethanehydrazonoyl chloride

C14H12ClN3O — CID 564883

IUPAC2-anilino-2-oxo-N-phenylethanehydrazonoyl chloride
SMILESO=C(Nc1ccccc1)C(Cl)=NNc1ccccc1
InChIInChI=1S/C14H12ClN3O/c15-13(18-17-12-9-5-2-6-10-12)14(19)16-11-7-3-1-4-8-11/h1-10,17H,(H,16,19)
InChIKeyPUKSXDOBWDDAGI-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.29
Rot. Bonds4

About 2-anilino-2-oxo-N-phenylethanehydrazonoyl chloride

2-anilino-2-oxo-N-phenylethanehydrazonoyl chloride (PubChem CID 564883) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-anilino-2-oxo-N-phenylethanehydrazonoyl chloride.

Molecular Properties

Compound Name2-anilino-2-oxo-N-phenylethanehydrazonoyl chloride
PubChem CID564883
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name2-anilino-2-oxo-N-phenylethanehydrazonoyl chloride
SMILESO=C(Nc1ccccc1)C(Cl)=NNc1ccccc1
InChIInChI=1S/C14H12ClN3O/c15-13(18-17-12-9-5-2-6-10-12)14(19)16-11-7-3-1-4-8-11/h1-10,17H,(H,16,19)
InChIKeyPUKSXDOBWDDAGI-UHFFFAOYSA-N
XLogP3.29
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-anilino-2-oxo-N-phenylethanehydrazonoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Chloridazon
CID 15546
Chloroacetanilide
CID 11485
N-Acetyl-1,2-diphenylhydrazine
CID 140901
4-Chloro-5-(methylamino)-2-phenyl-3(2H)-pyridazinone
CID 74335
2-chloro-N-phenyl-N-((phenylcarbamoyl)amino)acetamide
CID 4868361
4-Chloro-1,2-dihydro-1-phenylpyridazine-3,6-dione
CID 74334
4'-Anilino-2,2,2-trichloroacetanilide
CID 759107
4,6-Dichloro-2-phenyl-3(2H)-pyridazinone
CID 561606
4,5-dichloro-6-hydroxy-2-phenyl-3(2H)-pyridazinone
CID 796608
5-(Butylamino)-4-chloro-2-phenylpyridazin-3-one
CID 2223519
2-chloro-N-{4-[(E)-phenyldiazenyl]phenyl}acetamide
CID 310168
4-chloro-N-(4-fluorophenyl)-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarboxamide
CID 1486255

Frequently Asked Questions

What is the IUPAC name of 2-anilino-2-oxo-N-phenylethanehydrazonoyl chloride?
The IUPAC name of 2-anilino-2-oxo-N-phenylethanehydrazonoyl chloride (CID 564883) is 2-anilino-2-oxo-N-phenylethanehydrazonoyl chloride.
What is the SMILES notation for 2-anilino-2-oxo-N-phenylethanehydrazonoyl chloride?
The canonical SMILES for 2-anilino-2-oxo-N-phenylethanehydrazonoyl chloride is O=C(Nc1ccccc1)C(Cl)=NNc1ccccc1.
What is the InChIKey of 2-anilino-2-oxo-N-phenylethanehydrazonoyl chloride?
The InChIKey is PUKSXDOBWDDAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c15-13(18-17-12-9-5-2-6-10-12)14(19)16-11-7-3-1-4-8-11/h1-10,17H,(H,16,19).
What are the key properties of 2-anilino-2-oxo-N-phenylethanehydrazonoyl chloride?
2-anilino-2-oxo-N-phenylethanehydrazonoyl chloride has a molecular weight of 273.72 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-2-oxo-N-phenylethanehydrazonoyl chloride is sourced from PubChem (CID 564883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).